SCHEMBL17789022

SCHEMBL17789022

Cn1[nH]c(-c2ccncc2)c(CNC(=O)C(C)(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CSNK1G1 Q9HCP0 1/20 0.33
▸ PTGES O14684 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17789019 0.88 KDM4E (0.45) MAPTL3MBTL1KDM4EHDAC6RAB9A
SCHEMBL17792536 0.86 CSNK1A1 (0.38) MAPTKDM4ERAB9AALDH1A1CSNK1A1
SCHEMBL17297831 0.75 GCGR (0.38) L3MBTL1KDM4EHDAC6ALDH1A1CSNK1A1
SCHEMBL18743897 0.74 KDM4E (0.44) MAPTKDM4ERAB9AALDH1A1LMNA
SCHEMBL17792533 0.73 KDM4E (0.48) KDM4EALDH1A1
SCHEMBL17789065 0.71 LMNA (0.36) MAPTL3MBTL1HDAC6CA1CA2
SCHEMBL1709279 0.69 RAB9A (0.63) MAPTL3MBTL1HDAC6RAB9AALDH1A1
SCHEMBL17789027 0.63 ALDH1A1 (0.37) MAPTL3MBTL1KDM4EHDAC6ALDH1A1
SCHEMBL17789061 0.63 MAPT (0.38) MAPTL3MBTL1KDM4EHDAC6ALDH1A1
SCHEMBL17297829 0.62 HDAC1 (0.41) MAPTKDM4ERAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-11-19 — — US disclosed
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-03-08 — — US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — US disclosed
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-06-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS MAPT 4252/4885L3MBTL1 3620/4885KDM4E 1368/4885
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS MAPT 4252/4885L3MBTL1 3620/4885KDM4E 1368/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR MAPT 4625/4885L3MBTL1 2668/4885KDM4E 860/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR MAPT 4625/4885L3MBTL1 2668/4885KDM4E 860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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